SCHEMBL11250442

SCHEMBL11250442

O=C(O)C(=O)Oc1cccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.50
TSHR P16473 2/20 0.46
ALDH1A1 P00352 4/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
TDP1 Q9NUW8 4/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
RAB9A P51151 3/20 0.41
NPC1 O15118 1/20 0.41
RECQL P46063 1/20 0.41
ESR2 Q92731 1/20 0.40
POLB P06746 2/20 0.40
APEX1 P27695 1/20 0.40
HTT P42858 1/20 0.40
KCNH2 Q12809 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 1/20 0.40
KDM4E B2RXH2 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11250446 1.00 GPR35 (0.50) GPR35TSHRALDH1A1MEN1KMT2A
SCHEMBL3206927 0.92 GPR35 (0.55) GPR35TSHRALDH1A1MEN1KMT2A
SCHEMBL48360 0.87 GPR35 (0.53) GPR35TSHRALDH1A1MEN1KMT2A
SCHEMBL48361 0.87 GPR35 (0.53) GPR35TSHRALDH1A1MEN1KMT2A
SCHEMBL48359 0.85 GPR35 (0.55) GPR35TSHRALDH1A1MEN1KMT2A
SCHEMBL31694579 0.85 ALDH1A1 (0.55) ALDH1A1MEN1KMT2ATDP1L3MBTL1
SCHEMBL1652615 0.82 GPR35 (0.51) GPR35TSHRALDH1A1MEN1KMT2A
SCHEMBL17005575 0.82 TSHR (0.51) GPR35TSHRALDH1A1MEN1KMT2A
SCHEMBL2373772 0.82 GPR35 (0.51) GPR35TSHRALDH1A1MEN1KMT2A
SCHEMBL25331485 0.81 TSHR (0.50) GPR35TSHRALDH1A1MEN1KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4365018-A SELF-EXPOSING, CHEMILUMINESCENCE THE MEAD CORPORATION (US) 1982-12-21 US disclosed
US-4233402-A CHEMICAL ANALYSIS OF A BINDING PAIR OF LIGANDS AND ENZYMES BY LIGHT SIGNALS SYVA COMPANY (US) 1980-11-11 US disclosed